| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011241
BDB011241
|
BDBM236290
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C28H25ClN6O2 513.001000 |
KWIUQJKKCSQXRV-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236290; PubChem:CID72204203
|
Local ready
Direct docking supported
|
|
E3L011242
BDB011242
|
BDBM236291
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1
|
C29H26ClN5O3 528.012000 |
VYRXZNHFFYBTOZ-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236291; PubChem:CID72204204
|
Local ready
Direct docking supported
|
|
E3L011243
BDB011243
|
BDBM236292
CCn1c(-c2cnc(OC)nc2OC)cc2c1C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C27H24Cl2N4O3 523.420000 |
ZULSNYQIJDALQK-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236292; PubChem:CID72204205
|
Local ready
Direct docking supported
|
|
E3L011244
BDB011244
|
BDBM236293
COc1ccccc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C28H25Cl2N3O3 522.432000 |
OSPXIZQCOBEGKO-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236293; PubChem:CID72204206
|
Local ready
Direct docking supported
|
|
E3L011245
BDB011245
|
BDBM236294
COc1ccc(C(=O)N2CCOCC2)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C33H32Cl2N4O5 635.548000 |
OWBQSHUGYPCMPH-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236294; PubChem:CID72204207
|
Local ready
Direct docking supported
|
|
E3L011246
BDB011246
|
BDBM236295
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1
|
C27H25Cl2N5O4 554.434000 |
VTGDOFNBBBIIFU-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236295; PubChem:CID72204403
|
Local ready
Direct docking supported
|
|
E3L011247
BDB011247
|
BDBM236296
CNC(=O)c1ccc(OC)c(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c1
|
C30H28Cl2N4O4 579.484000 |
AHKXWUMEVJBCEZ-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236296; PubChem:CID72204404
|
Local ready
Direct docking supported
|
|
E3L011248
BDB011248
|
BDBM236297
COc1ccc(C(=O)O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C29H25Cl2N3O5 566.441000 |
GPJDHZXWALLPND-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236297; PubChem:CID72204405
|
Local ready
Direct docking supported
|
|
E3L011249
BDB011249
|
BDBM236298
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C26H24Cl2N6O3 539.423000 |
XMQRFSWKZVXRFN-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236298; PubChem:CID72204406
|
Local ready
Direct docking supported
|
|
E3L011250
BDB011250
|
BDBM236299
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C28H28Cl2N6O3 567.477000 |
UOITXPOYFHJLDG-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236299; PubChem:CID72204407
|
Local ready
Direct docking supported
|
|
E3L011251
BDB011251
|
BDBM236300
CNC(=O)c1ccc(OC)c(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c1
|
C30H26Cl2FN3O3 566.460000 |
JVQOZXAGUFLHTP-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236300; PubChem:CID72204596
|
Local ready
Direct docking supported
|
|
E3L011252
BDB011252
|
BDBM236301
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1
|
C27H23Cl2FN4O3 541.410000 |
LEBMQPMVEIWNHI-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236301; PubChem:CID72204597
|
Local ready
Direct docking supported
|
|
E3L011253
BDB011253
|
BDBM236302
COc1ccc(C(=O)N2CCOCC2)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C33H30Cl2FN3O4 622.524000 |
GHPMCAZUJDDVPG-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236302; PubChem:CID72204598
|
Local ready
Direct docking supported
|
|
E3L011254
BDB011254
|
BDBM236303
COc1ccc(C(=O)O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C29H23Cl2FN2O4 553.417000 |
AUCFWTPOSQPMCN-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236303; PubChem:CID72204599
|
Local ready
Direct docking supported
|
|
E3L011255
BDB011255
|
BDBM236305
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C28H26Cl2FN5O2 554.453000 |
PHRQUZMQZUQZPF-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236305; PubChem:CID72204600
|
Local ready
Direct docking supported
|
|
E3L011256
BDB011256
|
BDBM236306
COc1ccccc1-c1c(C#N)c2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C30H25Cl2N3O2 530.455000 |
GECQFVNZVZPYQL-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236306; PubChem:CID72204793
|
Local ready
Direct docking supported
|
|
E3L011257
BDB011257
|
BDBM236307
COc1ccc(CC(=O)O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C31H28Cl2N2O4 563.481000 |
NBVBMZRUNBAPLX-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236307; PubChem:CID72204794
|
Local ready
Direct docking supported
|
|
E3L011258
BDB011258
|
BDBM236308
COc1ccc(C(N)=O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C30H27Cl2N3O3 548.470000 |
ZFWNPUCAIBBZKA-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236308; PubChem:CID72204795
|
Local ready
Direct docking supported
|
|
E3L011259
BDB011259
|
BDBM236309
CNS(=O)(=O)c1ccc(OC)c(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c1
|
C30H29Cl2N3O4S 598.552000 |
YYXIJDCSNCCYED-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236309; PubChem:CID72204796
|
Local ready
Direct docking supported
|
|
E3L011260
BDB011260
|
BDBM236310
COc1ccccc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N([C@H]1CC[C@H](O)CC1)C2=O
|
C28H31ClN2O3 479.020000 |
MDFCPCODNMRVEK-YOQWSDCESA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236310
|
Local ready
Direct docking supported
|